methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate

C15H20N2O3 — CID 133465271

IUPACmethyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
SMILESC=CCOC1CCN(c2ccc(C(=O)OC)c(C)n2)C1
InChIInChI=1S/C15H20N2O3/c1-4-9-20-12-7-8-17(10-12)14-6-5-13(11(2)16-14)15(18)19-3/h4-6,12H,1,7-10H2,2-3H3
InChIKeySWUWIEUAKCNOSL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds5

About methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate

methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate (PubChem CID 133465271) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
PubChem CID133465271
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
SMILESC=CCOC1CCN(c2ccc(C(=O)OC)c(C)n2)C1
InChIInChI=1S/C15H20N2O3/c1-4-9-20-12-7-8-17(10-12)14-6-5-13(11(2)16-14)15(18)19-3/h4-6,12H,1,7-10H2,2-3H3
InChIKeySWUWIEUAKCNOSL-UHFFFAOYSA-N
XLogP1.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate (CID 133465271) is methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate is C=CCOC1CCN(c2ccc(C(=O)OC)c(C)n2)C1.
What is the InChIKey of methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate?
The InChIKey is SWUWIEUAKCNOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-9-20-12-7-8-17(10-12)14-6-5-13(11(2)16-14)15(18)19-3/h4-6,12H,1,7-10H2,2-3H3.
What are the key properties of methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate?
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133465271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).